SCHEMBL22985074

SCHEMBL22985074

CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(-c2ccc(C(F)(F)F)cc2C#N)c(-c2cc(C#N)ccc2-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 2/20 0.32
SCN9A Q15858 1/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PTGDR2 Q9Y5Y4 2/20 0.32
PTPN1 P18031 1/20 0.31
PTPN6 P29350 1/20 0.31
PTPN11 Q06124 1/20 0.31
KIF11 P52732 3/20 0.30
CSNK1D P48730 2/20 0.30
CSNK1G2 P78368 2/20 0.30
PPARG P37231 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22985619 0.96 ALOX5AP (0.34) DDR1SCN9AALOX5APFEN1TSHR
SCHEMBL22985084 0.95 PPARG (0.34) DDR1SCN9AKIF11PPARG
SCHEMBL22985613 0.94 ALOX5AP (0.34) SCN9AALOX5APFEN1TSHRSMN1; SMN2
SCHEMBL22985618 0.91 KIF11 (0.33) SCN9AALOX5APFEN1PTPN1PTPN6
SCHEMBL22985075 0.91 TSHR (0.33) SCN9AALOX5APFEN1TSHRSMN1; SMN2
SCHEMBL22985468 0.89 KIF11 (0.33) SCN9AALOX5APFEN1KIF11PPARG
SCHEMBL22985216 0.89 ALOX5AP (0.39) SCN9AALOX5APFEN1PTGDR2KIF11
SCHEMBL22985097 0.89 KIF11 (0.33) SCN9AALOX5APFEN1KIF11PPARG
SCHEMBL22985174 0.89 KIF11 (0.40) SCN9AALOX5APFEN1PTGDR2KIF11
SCHEMBL22985159 0.88 AR (0.34) KIF11CSNK1DCSNK1G2PPARG

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10919880-B2 Organic molecules, in particular for use in optoelectronic devices CYNORA GMBH (DE) 2021-02-16 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10919880-B2 Organic molecules, in particular for use in optoelectronic devices OCIAD1, OCIAD2, POU2F1 DDR1 4072/4885SCN9A 2249/4885ALOX5AP 2567/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.